2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide

C32H36Br4N2O4 — CID 18522549

IUPAC2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)COc1c(Br)cc(CC(C)(C)c2cc(Br)c(OCC(=O)N(CC=C)CC=C)c(Br)c2)cc1Br
InChIInChI=1S/C32H36Br4N2O4/c1-7-11-37(12-8-2)28(39)20-41-30-24(33)15-22(16-25(30)34)19-32(5,6)23-17-26(35)31(27(36)18-23)42-21-29(40)38(13-9-3)14-10-4/h7-10,15-18H,1-4,11-14,19-21H2,5-6H3
InChIKeyDKLOFVOZARQGRT-UHFFFAOYSA-N
MW832.27 g/mol
LogP8.42
Rot. Bonds17

About 2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide

2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 18522549) has the molecular formula C32H36Br4N2O4 and a molecular weight of 832.27 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide
PubChem CID18522549
Molecular FormulaC32H36Br4N2O4
Molecular Weight832.27 g/mol
Exact Mass827.94
IUPAC Name2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)COc1c(Br)cc(CC(C)(C)c2cc(Br)c(OCC(=O)N(CC=C)CC=C)c(Br)c2)cc1Br
InChIInChI=1S/C32H36Br4N2O4/c1-7-11-37(12-8-2)28(39)20-41-30-24(33)15-22(16-25(30)34)19-32(5,6)23-17-26(35)31(27(36)18-23)42-21-29(40)38(13-9-3)14-10-4/h7-10,15-18H,1-4,11-14,19-21H2,5-6H3
InChIKeyDKLOFVOZARQGRT-UHFFFAOYSA-N
XLogP8.42
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.27
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide with MolForge

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N,N-bis(prop-2-enyl)acetamide
CID 112604821
2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765407
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-bromobenzoic acid
CID 103601808
2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide
CID 112774907
4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid
CID 43214193
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-iodobenzoic acid
CID 78909445
N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 78767913
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide
CID 7893883
1,3-dibromo-5-[2-(3,5-dibromo-4-hex-5-enoxyphenyl)propan-2-yl]-2-hex-5-enoxybenzene
CID 59551592
3,5-dibromo-4-[2-(diethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82913649
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide
CID 26217588

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide (CID 18522549) is 2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)COc1c(Br)cc(CC(C)(C)c2cc(Br)c(OCC(=O)N(CC=C)CC=C)c(Br)c2)cc1Br.
What is the InChIKey of 2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is DKLOFVOZARQGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Br4N2O4/c1-7-11-37(12-8-2)28(39)20-41-30-24(33)15-22(16-25(30)34)19-32(5,6)23-17-26(35)31(27(36)18-23)42-21-29(40)38(13-9-3)14-10-4/h7-10,15-18H,1-4,11-14,19-21H2,5-6H3.
What are the key properties of 2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide?
2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 832.27 g/mol, XLogP of 8.42, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3,5-dibromophenyl]-2-methylpropyl]-2,6-dibromophenoxy]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 18522549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).